(E)-2-[di-(t-butoxycarbonyl)]amino-9-[4-(diisopropoxyphosphoryl)but-3-enyloxy]-6-methoxypurine

HCID 10348554
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Basic information

Standard SMILES
COc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2c1ncn2OCC/C=C/P(=O)(OC(C)C)OC(C)C
InChIKey
VXCCHOFQPZIDEE-FYWRMAATSA-N
Molecular formula
C26H42N5O9P
Average molar mass
599.6 g/mol

Names & identifiers

Preferred name
(E)-2-[di-(t-butoxycarbonyl)]amino-9-[4-(diisopropoxyphosphoryl)but-3-enyloxy]-6-methoxypurine
IUPAC
tert-butyl N-[9-[(E)-4-di(propan-2-yloxy)phosphorylbut-3-enoxy]-6-methoxypurin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Names & synonyms

SCHEMBL9296061VXCCHOFQPZIDEE-FYWRMAATSA-N(E)-2-[di-(t-butoxycarbonyl)]amino-9-[4-(diisopropoxyphosphoryl)but-3-enyloxy]-6-methoxypurine

Database identifiers

PubChem CID
10348554

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
153 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
15
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

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